SCHEMBL16704792

SCHEMBL16704792

CN(C)CCC(=O)Nc1n[nH]c2ncc(-c3ccccc3)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 15/20 0.70
CDK1 P06493 4/20 0.70
CCNB2 O95067 1/20 0.70
CCNB1 P14635 1/20 0.70
CCNB3 Q8WWL7 1/20 0.70
GSK3B P49841 16/20 0.62
CDK2 P24941 3/20 0.50
CDK5 Q00535 2/20 0.50
DYRK1A Q13627 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MAP4K4 O95819 1/20 0.50
LIMK1 P53667 1/20 0.50
STK17A Q9UEE5 1/20 0.50
DYRK3 O43781 1/20 0.47
CLK2 P49760 1/20 0.47
PRKCD Q05655 1/20 0.47
PKN2 Q16513 1/20 0.47
BRSK1 Q8TDC3 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
CSNK1G1 Q9HCP0 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5390676 0.89 GSK3B (0.69) GSK3ACDK1GSK3BCDK2CDK5
SCHEMBL14553015 0.86 GSK3A (0.58) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL7155632 0.83 GSK3B (0.62) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL10059342 0.82 GSK3A (1.00) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL7126812 0.81 GSK3A (0.64) GSK3AGSK3BDYRK1A
Bromide SCHEMBL5399700 0.79 GSK3A (0.51) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL7256635 0.78 GSK3A (0.67) GSK3AGSK3B
SCHEMBL5408575 0.78 GSK3B (0.70) GSK3ACDK1GSK3BCDK2CDK5
Hydrochloric Acid SCHEMBL5403658 0.76 GSK3B (0.98) GSK3ACDK1CCNB2CCNB1CCNB3
SCHEMBL7128018 0.76 GSK3A (0.58) GSK3AGSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed